N-(4-ethoxy-3-methylphenyl)-2,2-dimethylbutane-1,4-diamine

C15H26N2O — CID 115204209

IUPACN-(4-ethoxy-3-methylphenyl)-2,2-dimethylbutane-1,4-diamine
SMILESCCOc1ccc(NCC(C)(C)CCN)cc1C
InChIInChI=1S/C15H26N2O/c1-5-18-14-7-6-13(10-12(14)2)17-11-15(3,4)8-9-16/h6-7,10,17H,5,8-9,11,16H2,1-4H3
InChIKeyQGBGRLGJGJLFAK-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.18
Rot. Bonds7

About N-(4-ethoxy-3-methylphenyl)-2,2-dimethylbutane-1,4-diamine

N-(4-ethoxy-3-methylphenyl)-2,2-dimethylbutane-1,4-diamine (PubChem CID 115204209) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-(4-ethoxy-3-methylphenyl)-2,2-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(4-ethoxy-3-methylphenyl)-2,2-dimethylbutane-1,4-diamine
PubChem CID115204209
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-(4-ethoxy-3-methylphenyl)-2,2-dimethylbutane-1,4-diamine
SMILESCCOc1ccc(NCC(C)(C)CCN)cc1C
InChIInChI=1S/C15H26N2O/c1-5-18-14-7-6-13(10-12(14)2)17-11-15(3,4)8-9-16/h6-7,10,17H,5,8-9,11,16H2,1-4H3
InChIKeyQGBGRLGJGJLFAK-UHFFFAOYSA-N
XLogP3.18
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-(4-ethoxy-3-methylanilino)-3,3-dimethylbutanoic acid
CID 115220199
4-ethoxy-N-ethyl-3-methylaniline
CID 82490653
ethyl 2-(4-ethoxy-3-methylanilino)acetate
CID 115257196
N-(4-ethoxy-3-methylphenyl)-2-methylbutane-1,4-diamine
CID 115202314
N-(2-chloroethyl)-4-ethoxy-3-methylaniline
CID 115214594
N'-(4-ethoxy-3-methylphenyl)-N-methylethane-1,2-diamine
CID 115195723
3-N-(4-ethoxy-3-methylphenyl)-3-N,3-dimethylbutane-1,3-diamine
CID 115134578
N-[(3-aminophenyl)methyl]-4-ethoxy-3-methylaniline
CID 115211777
2,2-dimethyl-N-(2-methyl-4-pyridinyl)butane-1,4-diamine
CID 106142118
methyl 2-(4-ethoxy-3-methylanilino)acetate
CID 115232665
4-(4-amino-3-methylanilino)-3,3-dimethylbutan-1-ol
CID 106140683
N'-(3,4-diethoxyphenyl)propane-1,3-diamine
CID 62505868

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-methylphenyl)-2,2-dimethylbutane-1,4-diamine?
The IUPAC name of N-(4-ethoxy-3-methylphenyl)-2,2-dimethylbutane-1,4-diamine (CID 115204209) is N-(4-ethoxy-3-methylphenyl)-2,2-dimethylbutane-1,4-diamine.
What is the SMILES notation for N-(4-ethoxy-3-methylphenyl)-2,2-dimethylbutane-1,4-diamine?
The canonical SMILES for N-(4-ethoxy-3-methylphenyl)-2,2-dimethylbutane-1,4-diamine is CCOc1ccc(NCC(C)(C)CCN)cc1C.
What is the InChIKey of N-(4-ethoxy-3-methylphenyl)-2,2-dimethylbutane-1,4-diamine?
The InChIKey is QGBGRLGJGJLFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-18-14-7-6-13(10-12(14)2)17-11-15(3,4)8-9-16/h6-7,10,17H,5,8-9,11,16H2,1-4H3.
What are the key properties of N-(4-ethoxy-3-methylphenyl)-2,2-dimethylbutane-1,4-diamine?
N-(4-ethoxy-3-methylphenyl)-2,2-dimethylbutane-1,4-diamine has a molecular weight of 250.39 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-methylphenyl)-2,2-dimethylbutane-1,4-diamine is sourced from PubChem (CID 115204209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).